CID 113253

Einecs 264-226-3

Structural Information

Molecular Formula
C24H21NO5
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)OCCC4=CC=C(C=C4)CCO)N
InChI
InChI=1S/C24H21NO5/c25-22-19(30-12-10-15-7-5-14(6-8-15)9-11-26)13-18(27)20-21(22)24(29)17-4-2-1-3-16(17)23(20)28/h1-8,13,26-27H,9-12,25H2
InChIKey
OKZRROQYZKWXOV-UHFFFAOYSA-N
Compound name
1-amino-4-hydroxy-2-[2-[4-(2-hydroxyethyl)phenyl]ethoxy]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

403.14197 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.149246 195.6
[M+Na]+ 426.131188 203.4
[M-H]- 402.134694 201.1
[M+NH4]+ 421.175793 206.6
[M+K]+ 442.105128 197.4
[M+H-H2O]+ 386.139230 186.2
[M+HCOO]- 448.140171 212.6
[M+CH3COO]- 462.155821 225.8
[M+Na-2H]- 424.116636 197.5
[M]+ 403.14142142 197.1
[M]- 403.14251858 197.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe